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  1. ALA4783416

    Name:
    ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)Show More

    Mol. Formula:
    C22H38N5O7P

    M.W.:
    515.55

    Type:
    Unknown

    AlogP:
    3.08

    Polar Surface Area:
    175.07

    HBA:
    11

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  2. ALA4295088

    Name:
    N-(2-ethylbenzyl)-5,7-dimethyl-6-(4-(morpholinomethyl)phenyl)quinolin-4-amiShow More

    Mol. Formula:
    C31H35N3O

    M.W.:
    465.64

    Type:
    Small molecule

    AlogP:
    6.53

    Polar Surface Area:
    37.39

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  3. ALA4294061

    Name:
    (4-(2-chlorophenyl)-5,7-dimethyl-6-(pyridin-4-yl)quinolin-2-yl)methanol

    Mol. Formula:
    C23H19ClN2O

    M.W.:
    374.87

    Type:
    Small molecule

    AlogP:
    5.73

    Polar Surface Area:
    46.01

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  4. ALA4293635

    Name:
    ethyl 4-(2-chlorophenyl)-5,7-dimethyl-6-(pyridin-4-yl)quinoline-2-carboxylaShow More

    Mol. Formula:
    C25H21ClN2O2

    M.W.:
    416.91

    Type:
    Small molecule

    AlogP:
    6.41

    Polar Surface Area:
    52.08

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  5. ALA4293251

    Name:
    4-(2-chlorophenyl)-N-isopropyl-5,7-dimethyl-6-(pyridin-4-yl)quinoline-2-carShow More

    Mol. Formula:
    C26H24ClN3O

    M.W.:
    429.95

    Type:
    Small molecule

    AlogP:
    6.37

    Polar Surface Area:
    54.88

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  6. ALA4293038

    Name:
    (4-(2-chlorophenyl)-5,7-dimethyl-6-(pyridin-4-yl)quinolin-2-yl)(morpholino)Show More

    Mol. Formula:
    C27H24ClN3O2

    M.W.:
    457.96

    Type:
    Small molecule

    AlogP:
    5.71

    Polar Surface Area:
    55.32

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  7. ALA4292593

    Name:
    4-(4-(4-(4-methoxypyridin-3-yl)-5,7-dimethylquinolin-6-yl)benzyl)morpholine

    Mol. Formula:
    C28H29N3O2

    M.W.:
    439.56

    Type:
    Small molecule

    AlogP:
    5.42

    Polar Surface Area:
    47.48

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  8. ALA4291669

    Name:
    4-(4-(4-(4-chlorophenyl)-5,7-dimethylquinolin-6-yl)benzyl)morpholine

    Mol. Formula:
    C28H27ClN2O

    M.W.:
    442.99

    Type:
    Small molecule

    AlogP:
    6.67

    Polar Surface Area:
    25.36

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  9. ALA4290582

    Name:
    4-(4-(4-(2-chloro-3-methoxyphenyl)-5,7-dimethylquinolin-6-yl)benzyl)morpholShow More

    Mol. Formula:
    C29H29ClN2O2

    M.W.:
    473.02

    Type:
    Small molecule

    AlogP:
    6.68

    Polar Surface Area:
    34.59

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  10. ALA4289321

    Name:
    4-(2-chlorophenyl)-N-(2-hydroxyethyl)-5,7-dimethyl-6-(pyridin-4-yl)quinolinShow More

    Mol. Formula:
    C25H22ClN3O2

    M.W.:
    431.92

    Type:
    Small molecule

    AlogP:
    4.96

    Polar Surface Area:
    75.11

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  11. ALA4289176

    Name:
    4-(4-(4-(2,6-dimethylphenyl)-5,7-dimethylquinolin-6-yl)benzyl)morpholine

    Mol. Formula:
    C30H32N2O

    M.W.:
    436.60

    Type:
    Small molecule

    AlogP:
    6.63

    Polar Surface Area:
    25.36

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  12. ALA4288248

    Name:
    4-(4-(4-(2-chlorophenyl)-5,7-dimethylquinolin-6-yl)benzyl)morpholine

    Mol. Formula:
    C28H27ClN2O

    M.W.:
    442.99

    Type:
    Small molecule

    AlogP:
    6.67

    Polar Surface Area:
    25.36

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  13. ALA4287162

    Name:
    2-(5,7-dimethyl-6-(4-(morpholinomethyl)phenyl)quinolin-4-yl)benzoic acid

    Mol. Formula:
    C29H28N2O3

    M.W.:
    452.55

    Type:
    Small molecule

    AlogP:
    5.72

    Polar Surface Area:
    62.66

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  14. ALA4285410

    Name:
    4-(4-(5,7-dimethyl-4-(pyrimidin-5-yl)quinolin-6-yl)benzyl)morpholine

    Mol. Formula:
    C26H26N4O

    M.W.:
    410.52

    Type:
    Small molecule

    AlogP:
    4.81

    Polar Surface Area:
    51.14

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  15. ALA4284853

    Name:
    5,7-dimethyl-6-(4-(morpholinomethyl)phenyl)-4-phenylquinolin-2(1H)-one

    Mol. Formula:
    C28H28N2O2

    M.W.:
    424.54

    Type:
    Small molecule

    AlogP:
    5.31

    Polar Surface Area:
    45.33

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  16. ALA4284472

    Name:
    (4-(2-chlorophenyl)-5,7-dimethyl-6-(pyridin-4-yl)quinolin-2-yl)(piperazin-1Show More

    Mol. Formula:
    C27H25ClN4O

    M.W.:
    456.98

    Type:
    Small molecule

    AlogP:
    5.28

    Polar Surface Area:
    58.12

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  17. ALA4283807

    Name:
    2-(5,7-dimethyl-6-(4-(morpholinomethyl)phenyl)quinolin-4-yl)benzonitrile

    Mol. Formula:
    C29H27N3O

    M.W.:
    433.56

    Type:
    Small molecule

    AlogP:
    5.89

    Polar Surface Area:
    49.15

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  18. ALA4283392

    Name:
    4-(2-chlorophenyl)-5,7-dimethyl-6-(pyridin-4-yl)quinoline

    Mol. Formula:
    C22H17ClN2

    M.W.:
    344.85

    Type:
    Small molecule

    AlogP:
    6.23

    Polar Surface Area:
    25.78

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  19. ALA4283249

    Name:
    4-(2-chlorophenyl)-5,7-dimethyl-6-(pyridin-4-yl)quinoline-2-carboxylic acid

    Mol. Formula:
    C23H17ClN2O2

    M.W.:
    388.85

    Type:
    Small molecule

    AlogP:
    5.93

    Polar Surface Area:
    63.08

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  20. ALA4283124

    Name:
    4-(4-(4,6-dimethyl-3-phenylbenzofuran-5-yl)benzyl)morpholine

    Mol. Formula:
    C27H27NO2

    M.W.:
    397.52

    Type:
    Small molecule

    AlogP:
    6.22

    Polar Surface Area:
    25.61

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
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